ChemSpider 2D Image | Dimethyl 5-({4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}sulfonyl)isophthalate | C20H27N3O7S

Dimethyl 5-({4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}sulfonyl)isophthalate

  • Molecular FormulaC20H27N3O7S
  • Average mass453.509 Da
  • Monoisotopic mass453.156982 Da
  • ChemSpider ID29804910

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3-Benzenedicarboxylic acid, 5-[[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]sulfonyl]-, dimethyl ester [ACD/Index Name]
5-({4-[2-Oxo-2-(1-pyrrolidinyl)éthyl]-1-pipérazinyl}sulfonyl)isophtalate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-({4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}sulfonyl)isophthalate [ACD/IUPAC Name]
Dimethyl-5-({4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}sulfonyl)isophthalat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 647.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.2±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.01
ACD/KOC (pH 5.5): 401.38
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.44
ACD/KOC (pH 7.4): 419.97
Polar Surface Area: 122 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 338.7±3.0 cm3

Click to predict properties on the Chemicalize site


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